SCHEMBL1108583

SCHEMBL1108583

COc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)[C@@]3(c4ccccc4)NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
MMP9 P14780 6/20 0.44
MMP2 P08253 5/20 0.42
MMP3 P08254 3/20 0.42
MMP13 P45452 3/20 0.42
MMP1 P03956 2/20 0.42
MMP7 P09237 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP8 P22894 2/20 0.41
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
HTR7 P34969 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1108590 0.95 MMP9 (0.49) PGRALDH1A1POLBMMP9MMP2
SCHEMBL1108561 0.92 FFAR1 (0.46) ALDH1A1MMP9MMP2MMP3MMP13
SCHEMBL1108556 0.91 PGR (0.46) PGRALDH1A1MMP9MMP2MMP3
SCHEMBL1108582 0.91 FFAR1 (0.46) PGRMMP9MMP2MMP3MMP13
SCHEMBL1108579 0.90 MMP9 (0.42) PGRALDH1A1POLBMMP9MMP2
SCHEMBL1108589 0.88 MMP9 (0.41) PGRMMP9MMP2MMP3MMP13
SCHEMBL1108558 0.88 MMP9 (0.41) PGRALDH1A1POLBMMP9MMP2
SCHEMBL1108588 0.86 ADAMTS4 (0.48) POLBMMP9MMP2MMP3MMP13
SCHEMBL1108581 0.83 LIPE (0.41) PGRALDH1A1POLBMMP9MMP2
SCHEMBL1108577 0.81 MMP2 (0.44) PGRALDH1A1POLBMMP9MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 PGR 3527/4885ALDH1A1 1381/4885POLB 1244/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 PGR 3527/4885ALDH1A1 1381/4885POLB 1244/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 PGR 2805/4885ALDH1A1 1172/4885POLB 1317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.